[(1S)-2-azaniumyl-1-(2,4-dimethylphenyl)ethyl]-dipropyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(2,4-dimethylphenyl)ethyl]-dipropyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(2,4-dimethylphenyl)ethyl]-dipropyl-ammonium CAS Name: [(1S)-2-ammonio-1-(2,4-dimethylphenyl)ethyl]-dipropylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(2,4-dimethylphenyl)ethyl]-dipropylazanium Traditional Name: [(1S)-2-ammonio-1-(2,4-dimethylphenyl)ethyl]-dipropyl-ammonium Formula: C16H30N2+2 MolecularWeight: 250.4228

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)C(C[NH3+])C1=C(C=C(C=C1)C)C

Isomeric SMILES

CCC[NH+](CCC)[C@H](C[NH3+])C1=C(C=C(C=C1)C)C

InChI

InChI=1S/C16H28N2/c1-5-9-18(10-6-2)16(12-17)15-8-7-13(3)11-14(15)4/h7-8,11,16H,5-6,9-10,12,17H2,1-4H3/p+2/t16-/m1/s1